SCHEMBL2182464

SCHEMBL2182464

CC(C)(C)OC(=O)N1CCC(Nc2cc(-n3c4ccccc4c4c(-c5cnc6ccccc6c5)cccc43)ccc2C#N)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 13/20 0.45
CNR1 P21554 2/20 0.41
CNR2 P34972 1/20 0.41
PIK3CD O00329 1/20 0.41
NSD2 O96028 2/20 0.40
EHMT2 Q96KQ7 1/20 0.40
GPR119 Q8TDV5 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2182008 0.89 HSP90AA1 (0.58) HSP90AA1
SCHEMBL2183243 0.84 HSP90AA1 (0.55) HSP90AA1
SCHEMBL2694176 0.81 HSP90AA1 (0.66) HSP90AA1
SCHEMBL949653 0.77 HSP90AA1 (0.56) HSP90AA1
SCHEMBL2185463 0.76 HSP90AA1 (0.57) HSP90AA1
SCHEMBL954168 0.76 HSP90AA1 (0.55) HSP90AA1
SCHEMBL2182330 0.76 HSP90AA1 (0.40) HSP90AA1
SCHEMBL3435292 0.74 HSP90AA1 (0.65) HSP90AA1
SCHEMBL2184680 0.74 HSP90AA1 (0.53) HSP90AA1
SCHEMBL2183119 0.74 BIRC5 (0.37) HSP90AA1PIK3CD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309721-B2 HSP90 inhibitory carbazole derivatives, compositions containing same and use thereof SANOFI (FR) 2012-11-13 US disclosed
US-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885CNR1 89/4885CNR2 59/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.